Field-Theoretic Simulations in Soft Matter and Quantum Fluids
Author | : Glenn H. Fredrickson |
Publisher | : Oxford University Press |
Total Pages | : 399 |
Release | : 2023-02-28 |
ISBN-10 | : 9780192663238 |
ISBN-13 | : 0192663232 |
Rating | : 4/5 (38 Downloads) |
Book excerpt: This monograph provides an introduction to field-theoretic simulations in classical soft matter and Bose quantum fluids. The method represents a new class of molecular computer simulation in which continuous fields, rather than particle coordinates, are sampled and evolved. Field-theoretic simulations are capable of analysing the properties of systems that are challenging for traditional simulation techniques, including dense phases of high molecular weight polymers, self-assembling fluids, and quantum fluids at finite temperature. The monograph details analytical methods for converting classical and quantum many-body problems to equilibrium field theory models with a molecular basis. Numerical methods are described that enable efficient, accurate, and scalable simulations of such models on modern computer hardware, including graphics processing units (GPUs). Extensions to non-equilibrium systems are discussed, along with an introduction to advanced field-theoretic simulation techniques including free energy estimation, alternative ensembles, coarse-graining, and variable cell methods.